2-Methylpyrrolo[1,2-c]pyrimidin-1(2H)-one

Base Information

• Chemical Name: 2-Methylpyrrolo[1,2-c]pyrimidin-1(2H)-one
• CAS No.: 223432-97-1
• Molecular Formula: C₈H₈N₂O
• Molecular Weight: 148.164
• DSSTox Substance ID: DTXSID401270147
• Nikkaji Number: J1.076.235I
• Mol file: 223432-97-1.mol

Synonyms:223432-97-1;2-Methylpyrrolo[1,2-c]pyrimidin-1(2H)-one;Pyrrolo[1,2-c]pyrimidin-1(2H)-one, 2-methyl- (9CI);DTXSID401270147;2-Methylpyrrolo[1,2-c]pyrimidine-1(2H)-one

Chemical Property of 2-Methylpyrrolo[1,2-c]pyrimidin-1(2H)-one

Chemical Property:

• PSA: 26.41000
• LogP: 0.63800
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

2-methyl-Pyrrolo[1,2-c]pyrimidin-1(2H)-one 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC2=CC=CN2C1=O

Technology Process of 2-Methylpyrrolo[1,2-c]pyrimidin-1(2H)-one

There total 3 articles about 2-Methylpyrrolo[1,2-c]pyrimidin-1(2H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

pyrrolo[1,2-c]pyrimidin-1(2H)-one (223432-96-0) + methyl iodide (74-88-4) → 2-methylpyrrolo[1,2-c]pyrimidin-1(2H)-one (223432-97-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 15h; Ambient temperature;

Reference yield:

4-Hydroxy-3,4-dihydro-2H-pyrrolo[1,2-c]pyrimidin-1-one (223432-95-9) → 2-methylpyrrolo[1,2-c]pyrimidin-1(2H)-one (223432-97-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Et₃N, MeSO₂Cl, 2.) NaOH / 1.) CH₂Cl₂, 0 deg C, 20 min, 2.) MeOH, 5 min

2: 93 percent / NaH / tetrahydrofuran / 15 h / Ambient temperature

With sodium hydroxide; sodium hydride; methanesulfonyl chloride; triethylamine; In tetrahydrofuran;

Reference yield:

2,3-Dihydro-pyrrolo[1,2-c]pyrimidine-1,4-dione (223432-94-8) → 2-methylpyrrolo[1,2-c]pyrimidin-1(2H)-one (223432-97-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / NaBH₄ / methanol / 0.33 h / 0 °C

2: 1.) Et₃N, MeSO₂Cl, 2.) NaOH / 1.) CH₂Cl₂, 0 deg C, 20 min, 2.) MeOH, 5 min

3: 93 percent / NaH / tetrahydrofuran / 15 h / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; sodium hydride; methanesulfonyl chloride; triethylamine; In tetrahydrofuran; methanol;

upstream raw materials:

pyrrolo[1,2-c]pyrimidin-1(2H)-one

methyl iodide

4-Hydroxy-3,4-dihydro-2H-pyrrolo[1,2-c]pyrimidin-1-one

2,3-Dihydro-pyrrolo[1,2-c]pyrimidine-1,4-dione